Geometry & MOs

Info

ID:	378303
PubChem CID:	134224379
Reduced:	F3O3N6H23C25 (1)
Stoich.:	A3B3C6D23E25 (1)
Weight, g/mol:	529.204922
ΔH_f, kcal/mol:	-181.7
Dipole, Da:	11.21
IP(EA), eV:	-8.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-[4-[[2-(dimethylamino)acetyl]amino]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations